pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.18	AttenGpKa training set	0	-1	On1nnc2cc(Br)ccc21	[O-]n1nnc2cc(Br)ccc21	mol26517	On1nnc2cc(Br)ccc21